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L-Arginine, hydrochloride
L-Arginine, hydrochloride ID: API-13407
CAS:15595-35-4
Supplier:APIchem

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SMILES:Cl.OC(=O)C(N)CCCN=C(N)N	ChemMol.com
FORMULA: C6H15ClN4O2
MASS: 210.6619
EXACT MASS: 210.0883534
INTERATOMIC DISTANCES

             Cl   1      O   2      O   3      N   4      N   5      N   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    3.2679     0.0000 
   O   3    4.9248     1.7321     0.0000 
   N   4    5.7378     2.6458     2.0000     0.0000 
   N   5    6.0742     4.5826     5.1961     3.6055     0.0000 
   N   6    7.2877     6.2450     6.9282     5.2915     1.7321     0.0000 
   N   7    5.6852     5.1962     6.2450     5.0000     1.7320     1.7321 
   C   8    4.3986     2.0000     2.6457     1.7320     2.6457     4.3589 
   C   9    5.1654     3.0000     3.4641     2.0000     1.7320     3.4641 
   C  10    4.7400     1.7321     1.7320     1.0000     3.4641     5.1962 
   C  11    5.1538     3.6056     4.3589     3.0000     1.0000     2.6458 
   C  12    4.2584     1.0001     1.0000     1.7320     4.3589     6.0828 
   C  13    6.3068     5.2915     6.0827     4.5826     1.0000     1.0001 
   H  14    4.0849     2.1943     3.1512     2.3451     2.4059     4.0507 
   H  15    3.8402     1.4332     2.4059     2.0295     3.1512     4.8282 
   H  16    5.4678     2.9562     3.1022     1.4332     2.1828     3.8917 
   H  17    5.7634     3.5889     3.8917     2.1944     1.4155     3.1021 
   H  18    5.1146     2.2901     2.2900     0.8743     2.9435     4.6695 
   H  19    5.0281     3.8982     4.8281     3.5889     1.0812     2.4059 
   H  20    4.5366     3.1102     4.0506     2.9561     1.5968     3.1513 
   H  21    6.1020     3.1409     2.6200     0.6201     3.2069     4.8399 
   H  22    6.0399     2.8292     1.7732     0.6200     4.2100     5.8809 
   H  23    3.1011     0.6200     1.8397     3.1408     5.1927     6.8429 
   H  24    7.5180     6.7056     7.4716     5.8809     2.2901     0.6200 
   H  25    7.7043     6.4222     6.9559     5.2100     1.8397     0.6200 
   H  26    5.9776     5.7415     6.8428     5.6200     2.2901     1.8397 
   H  27    5.0675     4.6695     5.8142     4.7206     1.8396     2.2901 
   H  28    1.0000     4.0931     5.6622     6.6477     7.0638     8.2368 

              N   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    3.6055     0.0000 
   C   9    3.0000     1.0000     0.0000 
   C  10    4.5826     1.0000     1.7320     0.0000 
   C  11    2.0000     1.7320     1.0000     2.6457     0.0000 
   C  12    5.2915     1.7320     2.6457     1.0000     3.4641     0.0000 
   C  13    1.0000     3.4641     2.6457     4.3589     1.7320     5.1961 
   H  14    3.1102     0.6200     1.0813     1.5967     1.4156     2.1828 
   H  15    3.8982     0.6200     1.5968     1.0812     2.1829     1.4155 
   H  16    3.5889     1.0813     0.6200     1.4156     1.5967     2.4059 
   H  17    2.9561     1.5968     0.6200     2.1829     1.0812     3.1512 
   H  18    4.2029     0.8743     1.2347     0.6200     2.2146     1.6199 
   H  19    1.4332     2.1829     1.5967     3.1512     0.6200     3.8917 
   H  20    2.1944     1.4155     1.0812     2.4059     0.6200     3.1021 
   H  21    4.7206     1.8397     1.7733     1.4158     2.7431     2.2901 
   H  22    5.6200     2.2901     2.6200     1.4158     3.6200     1.8396 
   H  23    5.7415     2.6200     3.6200     2.2901     4.2100     1.4158 
   H  24    1.8397     4.8708     4.0131     5.7415     3.1408     6.6018 
   H  25    2.2901     4.4726     3.5192     5.2330     2.8292     6.1647 
   H  26    0.6200     4.2100     3.6200     5.1927     2.6200     5.8808 
   H  27    0.6200     3.2069     2.7431     4.2029     1.7732     4.8399 
   H  28    6.6024     5.3746     6.1605     5.6574     6.1508     5.0931 

              C  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   H  14    3.1022     0.0000 
   H  15    3.8917     0.7971     0.0000 
   H  16    3.1512     1.4516     1.6889     0.0000 
   H  17    2.4059     1.6889     2.2064     0.7971     0.0000 
   H  18    3.8787     1.4767     1.2868     0.8135     1.6022     0.0000 
   H  19    1.4155     1.7321     2.5292     2.2063     1.6888     2.7751 
   H  20    2.1829     0.9350     1.7320     1.6888     1.4515     2.1012 
   H  21    4.2029     2.3981     2.2860     1.1541     1.7992     1.0001 
   H  22    5.1927     2.9097     2.4959     2.0484     2.7952     1.4674 
   H  23    5.8808     2.7951     2.0484     3.5651     4.2080     2.8736 
   H  24    1.4158     4.5178     5.3075     4.4690     3.6870     5.2330 
   H  25    1.4158     4.2428     4.9904     3.8653     3.0690     4.6695 
   H  26    1.4158     3.6980     4.4781     4.2079     3.5650     4.8212 
   H  27    1.4157     2.6630     3.4290     3.3572     2.8258     3.8856 
   H  28    7.2648     5.0794     4.8025     6.4491     6.7607     6.0639 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.7971     0.0000 
   H  21    3.3572     2.8258     0.0000 
   H  22    4.2079     3.5650     1.0739     0.0000 
   H  23    4.4781     3.6980     3.6740     3.2380     0.0000 
   H  24    2.8161     3.5956     5.4428     6.4759     7.2920     0.0000 
   H  25    2.7169     3.3947     4.7100     5.7745     7.0323     1.0739 
   H  26    2.0484     2.7952     5.3371     6.2400     6.2700     1.7321 
   H  27    1.1541     1.7992     4.5097     5.3371     5.1962     2.4522 
   H  28    6.0106     5.5344     7.0412     6.9102     3.8232     8.4413 

              H  25      H  26      H  27      H  28
              --------------------------------------------
   H  25    0.0000 
   H  26    2.4522     0.0000 
   H  27    2.8059     1.0739     0.0000 
   H  28    8.6697     6.8558     5.9896     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1453996612
   O   2   -0.4795343345
   O   3   -0.2492542477
   N   4   -0.3183997701
   N   5   -0.1137922297
   N   6   -0.2892547226
   N   7   -0.2892547226
   C   8   -0.0243979653
   C   9   -0.0167210604
   C  10    0.1033438831
   C  11    0.1047452635
   C  12    0.3217143918
   C  13    0.3764683538
   H  14    0.0286511980
   H  15    0.0286511980
   H  16    0.0297424063
   H  17    0.0297424063
   H  18    0.0573875751
   H  19    0.0692814988
   H  20    0.0692814988
   H  21    0.1189553151
   H  22    0.1189553151
   H  23    0.2951032010
   H  24    0.2546463871
   H  25    0.2546463871
   H  26    0.2546463871
   H  27    0.2546463871
   H  28    0.1453996612


BOND ANGLES
  12    2   23   C2   O3   HO    120.000
  10    4   21   C3   N3   HC    120.002
  10    4   22   C3   N3   HC    120.001
  21    4   22   HC   N3   HC    119.997
  11    5   13   C3  Ng+   C+    120.001
  13    6   24   C+  Ng+   HC    119.998
  13    6   25   C+  Ng+   HC    120.000
  24    6   25   HC  Ng+   HC    120.002
  13    7   26   C+  Ng+   HC    120.001
  13    7   27   C+  Ng+   HC    119.998
  26    7   27   HC  Ng+   HC    120.002
   9    8   10   C3   C3   C3    120.001
   9    8   14   C3   C3   HC     80.004
   9    8   15   C3   C3   HC    160.002
  10    8   14   C3   C3   HC    159.996
  10    8   15   C3   C3   HC     79.997
  14    8   15   HC   C3   HC     79.999
   8    9   11   C3   C3   C3    120.001
   8    9   16   C3   C3   HC     80.004
   8    9   17   C3   C3   HC    160.002
  11    9   16   C3   C3   HC    159.996
  11    9   17   C3   C3   HC     79.997
  16    9   17   HC   C3   HC     79.999
   4   10    8   N3   C3   C3    120.001
   4   10   12   N3   C3   C2    119.999
   4   10   18   N3   C3   HC     60.002
   8   10   12   C3   C3   C2    120.001
   8   10   18   C3   C3   HC     59.998
  12   10   18   C2   C3   HC    179.974
   5   11    9  Ng+   C3   C3    120.001
   5   11   19  Ng+   C3   HC     79.995
   5   11   20  Ng+   C3   HC    160.002
   9   11   19   C3   C3   HC    160.004
   9   11   20   C3   C3   HC     79.997
  19   11   20   HC   C3   HC     80.007
   2   12    3   O3   C2   O2    119.998
   2   12   10   O3   C2   C3    120.001
   3   12   10   O2   C2   C3    120.001
   5   13    6  Ng+   C+  Ng+    119.998
   5   13    7  Ng+   C+  Ng+    120.001
   6   13    7  Ng+   C+  Ng+    120.001


TORSION ANGLES
  23    2   12    3      0.026
  23    2   12   10    179.974
  21    4   10    8      0.026
  21    4   10   12    179.974
  21    4   10   18      0.026
  22    4   10    8    179.974
  22    4   10   12      0.026
  22    4   10   18    179.974
  13    5   11    9    179.974
  13    5   11   19      0.026
  13    5   11   20      0.026
  11    5   13    6    179.974
  11    5   13    7      0.026
  24    6   13    5    179.974
  24    6   13    7      0.026
  25    6   13    5      0.026
  25    6   13    7    179.974
  26    7   13    5    179.974
  26    7   13    6      0.026
  27    7   13    5      0.026
  27    7   13    6    179.974
  10    8    9   11    179.974
  10    8    9   16      0.026
  10    8    9   17      0.026
  14    8    9   11      0.026
  14    8    9   16    179.974
  14    8    9   17    179.974
  15    8    9   11      0.026
  15    8    9   16    179.974
  15    8    9   17    179.974
   9    8   10    4      0.026
   9    8   10   12    179.974
   9    8   10   18      0.026
  14    8   10    4    179.974
  14    8   10   12      0.026
  14    8   10   18    179.974
  15    8   10    4    179.974
  15    8   10   12      0.026
  15    8   10   18    179.974
   8    9   11    5    179.974
   8    9   11   19      0.026
   8    9   11   20      0.026
  16    9   11    5      0.026
  16    9   11   19    179.974
  16    9   11   20    179.974
  17    9   11    5      0.026
  17    9   11   19    179.974
  17    9   11   20    179.974
   4   10   12    2    179.974
   4   10   12    3      0.026
   8   10   12    2      0.026
   8   10   12    3    179.974
  18   10   12    2      0.026
  18   10   12    3    179.974


CHIRAL ATOMS
  18   10   12    3    179.974